Compound Identification
SMILES
CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O.CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1
InChIKey
InChIKey=YTEZOIYKTFWJPC-UHFFFAOYSA-N
Formula
C32H43N9O6
Mass
649.753
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
Phenylpyrazoles 6-oxopurines Alkaloids and derivatives Barbituric acid derivatives Dialkylarylamines N-acyl ureas Pyrazolones Benzene and substituted derivatives Diazinanes N-substituted imidazoles Dicarboximides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Not available
Substituents
Xanthine - Phenylpyrazole - 6-oxopurine - Purinone - Barbiturate - Alkaloid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyrimidone - Ureide - N-acyl urea - 1,3-diazinane - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Pyrimidine - N-substituted imidazole - Azole - Dicarboximide - Imidazole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Carbonic acid derivative - Lactam - Urea - Tertiary amine - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available